Geometry & MOs

Info

ID:	233988
PubChem CID:	92297479
Reduced:	ON2C16H22 (1)
Stoich.:	AB2C16D22 (1)
Weight, g/mol:	385.03136
ΔH_f, kcal/mol:	-42.13
Dipole, Da:	4.4
IP(EA), eV:	-8.91(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-[(5-bromo-2-methoxyphenyl)methylidene]-2-(3,4-dimethylphenyl)-1,3-oxazol-5-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N[C@H]2CN3CCC2CC3)C

DOS

IR

Vibrations